| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 14.52 | OCC(COCc1ccccc1)Nc1ncnc2[NH]ccc21 |
| InChI | InChI | 1.06 | InChI=1S/C16H18N4O2/c21-8-13(10-22-9-12-4-2-1-3-5-12)20-16-14-6-7-17-15(14)18-11-19-16/h1-7,11,13,21H,8-10H2,(H2,17,18,19,20)/t13-/m0/s1 |
| InChIKey | InChI | 1.06 | WUFXBETUVASVOF-ZDUSSCGKSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | OC[C@@H](COCc1ccccc1)Nc2ncnc3[nH]ccc23 |
| SMILES | CACTVS | 3.385 | OC[CH](COCc1ccccc1)Nc2ncnc3[nH]ccc23 |
| SMILES_CANONICAL | OpenEye OEToolkits | 3.1.0.0 | c1ccc(cc1)COC[C@H](CO)Nc2c3cc[nH]c3ncn2 |
| SMILES | OpenEye OEToolkits | 3.1.0.0 | c1ccc(cc1)COCC(CO)Nc2c3cc[nH]c3ncn2 |
